UCSF

ZINC02040474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 34 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 10.24 -128.88 4 6 2 69 468.638 6
Hi High (pH 8-9.5) 3.33 7.8 -10.94 2 6 0 63 466.622 6
Mid Mid (pH 6-8) 3.33 9.93 -47.69 3 6 1 64 467.63 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )